N-Methylbenzamide

Base Information

• Chemical Name: N-Methylbenzamide
• CAS No.: 613-93-4
• Molecular Formula: C8H9NO
• Molecular Weight: 135.16
• Hs Code.: 29242990
• European Community (EC) Number: 210-362-3
• NSC Number: 42944
• UNII: K3ED781E08
• DSSTox Substance ID: DTXSID5025570
• Nikkaji Number: J47.669B
• Wikidata: Q27281901
• Metabolomics Workbench ID: 129997
• ChEMBL ID: CHEMBL275261
• Mol file: 613-93-4.mol

Synonyms:N-methylbenzamide;N-methylbenzamide hydrochloride

Chemical Property of N-Methylbenzamide

Chemical Property:

• Appearance/Colour: white crystals or crystalline powder
• Vapor Pressure: 0.000724mmHg at 25°C
• Melting Point: 76-78 °C
• Refractive Index: 1.526
• Boiling Point: 307.5 °C at 760 mmHg
• PKA: 15.00±0.46(Predicted)
• Flash Point: 175.9 °C
• PSA: 29.10000
• Density: 1.041 g/cm³
• LogP: 1.43710
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: ethanol: soluble50mg/mL, clear, yellow-green
• Water Solubility.: Insoluble in water.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Methylbenzamide ≥99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: CNC(=O)C1=CC=CC=C1
• Uses: N-Methylbenzamide is an important pesticide intermediate. It acts as a potent PDE10A (phosphodiesterase with a remarkable localization as the protein is abundant only in brain tissue) inhibitor.